Molecule Editor

Molecule ID: FYI-1016037 Edit

Molecule Structure InChIKey: DCXYFEDJOCDNAF-UWTATZPHSA-N

Molecule Structure SMILES String: NC(=O)C[C@@H](N)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016037
FYIcenter.com

  9  8  0  0  1  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016037-3D
FYIcenter.com

 17 16  0     1  0  0  0  0  0999 V2000
    0.7958   -1.5002   -1.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -0.8499    0.7242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7209   -1.0885    0.7897 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862    1.7749   -0.0427 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5422    0.4364   -0.7240 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6493    0.7931   -0.3700 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5593    1.0062    0.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2597   -0.5790   -0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6562    0.0070    0.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3806    0.8987   -1.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897    0.8810    1.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9530    2.0240    0.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5157    1.6064   -0.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9721    1.6743    0.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4585    1.3414   -1.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3167   -0.1493   -1.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1976   -2.3829   -0.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$